(4aS,10aS)-6,7-dibromo-4a-hydroxy-3,8-bis(hydroxymethyl)-10a-methoxy-4H-dibenzo-p-dioxin-1-one
| Internal ID | a65a479d-4fd2-4aba-8879-904fdc570308 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Acetals > Ketals |
| IUPAC Name | (4aS,10aS)-6,7-dibromo-4a-hydroxy-3,8-bis(hydroxymethyl)-10a-methoxy-4H-dibenzo-p-dioxin-1-one |
| SMILES (Canonical) | COC12C(=O)C=C(CC1(OC3=C(O2)C=C(C(=C3Br)Br)CO)O)CO |
| SMILES (Isomeric) | CO[C@]12C(=O)C=C(C[C@@]1(OC3=C(O2)C=C(C(=C3Br)Br)CO)O)CO |
| InChI | InChI=1S/C15H14Br2O7/c1-22-15-10(20)2-7(5-18)4-14(15,21)24-13-9(23-15)3-8(6-19)11(16)12(13)17/h2-3,18-19,21H,4-6H2,1H3/t14-,15-/m0/s1 |
| InChI Key | OKQAIDYFZYZNBH-GJZGRUSLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14Br2O7 |
| Molecular Weight | 466.07 g/mol |
| Exact Mass | 465.90858 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.99% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.23% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.31% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.22% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.86% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.51% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.20% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.15% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.88% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.00% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.29% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.77% | 96.61% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.12% | 89.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 11340273 |
| LOTUS | LTS0090524 |
| wikiData | Q105193684 |